Thermodynamic properties of the ternary system MTBE+1-propanol+hexane

Experimental excess molar enthalpies and excess molar volumes of the ternary system x₁MTBE+x₂1-propanol+(1-x₁-x₂) hexane and the involved binary mixtures have been determined at 298.15 K and atmospheric pressure. Excess molar enthalpies were measured using a standard Calvet microcalorimeter, and excess molar volumes were determined from the densities of the pure liquids and mixtures, using a DMA 4500 Anton Paar densimeter. The UNIFAC group contribution model (in the versions of Larsen et al., and Gmehling et al.) has been employed to estimate excess enthalpies values. Several empirical expressions for estimating ternary properties from experimental binary results were applied.     

Some noncoercive parabolic equations with lower order terms in divergence form

This paper deals with existence and regularity results for the problem $ \cases{u_t-\mathrm{div}(a(x,t,u )\nabla u)=-\mathrm{div}(u\,E) \qquad in \Omega\times (0,T),\cr u=0 \qquad on \partial \Omega\times (0,T), \cr u (0)= u_0 \qquad in \Omega ,\cr} $ under various assumptions on E and $ u_0 $. The main difculty in studying this problem is due to the presence of the term div(uE), which makes the differential operator non coercive on the "energy space" $ L^2 (0, T; H_0^1 (\Omega)) $.AMS Subject Classification: 35K10, 35K15, 35K65.     

A sensitivity study on spectroscopic parameter accuracies for a mm/sub-mm limb sounder instrument

The purpose of this paper is to perform a detailed error analysis for a mm/sub-mm limb sounding instrument with respect to spectroscopic parameters. This is done in order to give some insight into the most crucial spectroscopic parameters and to work out a list of recommendations for measurements that would yield the largest possible benefit for an accurate retrieval. The investigations cover a variety of spectroscopic line parameters, such as line intensity, line position, air and self broadening parameters and their temperature exponents, and pressure shift. The retrieval process is performed with the optimal estimation method (OEM). The OEM allows one to perform an assessment of the total statistical error, as well as of the model parameter error, such as the error coming from spectroscopic parameters. The instrument parameters assumed are those of the MASTER instrument studied by the European Space Agency, one of the candidate instruments for a future atmospheric chemistry mission. However, the same principle and method of analysis can be applied to any other millimeter/sub-millimeter limb sounding instrument, for instance the Japanese instrument JEM/SMILES, the Swedish instrument Odin, and the Earth Observing System Microwave Limb Sounder. We find that an uncertainty in the intensity of the strong lines give an error of similar magnitude on the retrieved species to which the lines belong. Uncertainties in the line position have overall a small impact on the retrieval, indicating that the line positions are known with sufficient accuracy. The air broadening parameters and their temperature exponents of a few strong lines dominate the error budget. On the other hand, the self broadening parameters and the pressure shifts are found to have a rather small impact on the retrieval.     

Effect of the amine type on thermal stability of modified mesoporous silica used for CO2 adsorption

In this study, the preparation by grafting of amino-functionalized SBA-15 molecular sieves was carried out. Amino-functionalized molecular sieves were synthesized using a silane coupling agent and different types of amination reagents which react with modified SBA-15. These composites were characterized by FT-IR spectroscopy, X-ray diffraction at low angles, nitrogen physisorption at 77 K, and evaluated by the adsorption of CO₂ and its temperature-programmed desorption—TPD. Thermal stability was investigated by TGA and DTA methods. In the view of a possible use of these amino-functionalized molecular sieves as sorbents for CO₂ removal, their adsorption–desorption properties towards CO₂ were also investigated by the TPD method. The mass loss of amino-functionalized molecular sieves above 215 °C was due to the oxidation and decomposition of amino propyl functional groups. This means that these composites could be used for adsorption of CO₂ at temperatures below 215 °C. The adsorption of CO₂ and its temperature programmed desorption using thermogravimetry were studied for amino-functionalized molecular sieves at 60 °C. The evolved gases during the adsorption–desorption of CO₂ on amino-functionalized molecular sieves were identified by online mass spectrometry coupled with thermogravimetry. CO₂ adsorption isotherms of functionalized samples at 60 °C showed that both the adsorption capacity (mg CO₂/g adsorbent) and the efficiency of amino groups (mol CO₂/mol NH₂) depend on the type of amination reagents and the amount of organic compound used.

     

Excess enthalpies of ternary mixture consisting of tert-butyl methyl ether, ethanol and heptane

Excess molar enthalpies, measured at 298.15 K in a Calvet microcalorimeter, are reported for {x ₁ tert-butyl methyl ether (MTBE)+x ₂ethanol (EtOH)+(1?x ₁?x ₂)heptane}. Smooth representations of the results are presented and used to construct contant excess molar enthalpy contours on Roozeboom diagrams.     

Semilinear elliptic equations and systems with diffuse measures

We study the equation −, where g(·, s) is finite outside sets of zero H ¹-capacity, , and μ is a diffuse measure. As an application, we provide a positive answer to a question of Lucio Boccardo concerning existence of solutions of an elliptic system with absorption.

A Lucio “Tu se’ lo mio maestro e ’l mio autore” (Dante, Inferno, I, 85)

     

Surface films of short fluorocarbon-hydrocarbon diblocks studied by molecular dynamics simulations: Spontaneous formation of elongated hemimicelles

Using grazing incidence small-angle X-ray scattering (GISAXS), and atomic force microscopy (AFM) it has been recently demonstrated that linear fluorocarbon-hydrocarbon diblocks (FnHm) self-assemble in water/air interfaces forming elongated and circular hemimicelles. Those structures have been observed for diblocks with at least eight fluorinated carbons. Based on the lack of a collapse pressure for F6H16, and due to the fact that no stable surface pressure values are reached under compression, it has been concluded that these molecules do not form stable monolayers. It has been also suggested that F6H16 and shorter diblocks desorb from the water surface under compression. It is not easy to accept that a significant concentration of so hydrophobic molecules can be stable in aqueous solution even when the employed experimental techniques were not able to clearly detect a well defined structure on the interface. In the present work the adsorption and arrangement of F6H16 and F6H10 at the water surface are studied by molecular dynamics (MD) simulations as a function of the available area per molecule. Starting from a random mixture, the spontaneous formation of elongated hemimicelles is observed for both systems when the area per molecule is higher than approximately 50 A(2). For intermediate areas two pseudo-phases, one rich in hydrocarbons and the other with higher fluorocarbon concentration, are formed. For the systems with less than approximately 30 A(2) available per molecule the formation of multilayers is observed. This is the first time that the dynamics and structure of perfluoroalkane (PFA) films, and in particular of hemimicelles on a liquid surface, are observed and characterized at atomic level.